Predicted protein targets (top 20)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | CYP1A2 | P05177 | 1/20 | 0.37 |
| ▸ | CYP3A4 | P08684 | 1/20 | 0.37 |
| ▸ | CYP2D6 | P10635 | 1/20 | 0.37 |
| ▸ | CYP2C9 | P11712 | 1/20 | 0.37 |
| ▸ | CYP2C19 | P33261 | 1/20 | 0.37 |
| ▸ | ABCC3 | O15438 | 1/20 | 0.37 |
| ▸ | NR1I2 | O75469 | 1/20 | 0.37 |
| ▸ | ABCB11 | O95342 | 1/20 | 0.37 |
| ▸ | NR3C1 | P04150 | 1/20 | 0.37 |
| ▸ | RARG | P13631 | 1/20 | 0.37 |
| ▸ | CNR1 | P21554 | 1/20 | 0.37 |
| ▸ | OPRK1 | P41145 | 1/20 | 0.37 |
| ▸ | NR1H2 | P55055 | 1/20 | 0.37 |
| ▸ | PPARA | Q07869 | 1/20 | 0.37 |
| ▸ | NR1H3 | Q13133 | 1/20 | 0.37 |
| ▸ | NR1I3 | Q14994 | 1/20 | 0.37 |
| ▸ | ACE | P12821 | 2/20 | 0.35 |
| ▸ | MME | P08473 | 1/20 | 0.35 |
| ▸ | CPA3 | P15088 | 1/20 | 0.35 |
| ▸ | ENPEP | Q07075 | 2/20 | 0.33 |
Click a target to see other patent compounds predicted against it — the reverse direction, in place.
Similar compounds — the chemically nearest patent molecules
Nearest neighbours by Morgan-fingerprint cosine across the patent-compound collection, with each neighbour's top predicted target and the predicted targets it shares with this molecule.
| Compound | similarity | top predicted | shared targets | |
|---|---|---|---|---|
| SCHEMBL9400954 | 1.00 | CYP1A2 (0.37) | CYP1A2CYP3A4CYP2D6CYP2C9CYP2C19 | |
| SCHEMBL7378724 | 1.00 | CYP1A2 (0.37) | CYP1A2CYP3A4CYP2D6CYP2C9CYP2C19 | |
| SCHEMBL7375607 | 0.92 | CYP1A2 (0.36) | CYP1A2CYP3A4CYP2D6CYP2C9CYP2C19 | |
| SCHEMBL7291272 | 0.86 | CYP1A2 (0.38) | CYP1A2CYP3A4CYP2D6CYP2C9CYP2C19 | |
| SCHEMBL7284671 | 0.86 | CYP1A2 (0.38) | CYP1A2CYP3A4CYP2D6CYP2C9CYP2C19 | |
| SCHEMBL9400825 | 0.82 | CYP3A4 (0.35) | CYP1A2CYP3A4CYP2D6CYP2C9CYP2C19 | |
| SCHEMBL7283663 | 0.82 | CYP3A4 (0.35) | CYP1A2CYP3A4CYP2D6CYP2C9CYP2C19 | |
| SCHEMBL7283657 | 0.82 | CYP3A4 (0.35) | CYP1A2CYP3A4CYP2D6CYP2C9CYP2C19 | |
| SCHEMBL9813914 | 0.81 | MME (0.55) | ACEMMECPA3 | |
| SCHEMBL7291854 | 0.81 | MME (0.55) | ACEMMECPA3 |
Similarity is cosine over the 2,048-bit Morgan fingerprint (≈ Tanimoto). Identical fingerprints score 1.00.
Patent provenance — the patents this molecule appears in, and who filed them
Claimed or disclosed in 3 patents. claimed = in the patent's claims; disclosed = body only.
| Patent | Title | Assignee | Published | Priority | Filing | Country | Status |
|---|---|---|---|---|---|---|---|
| EP-0341081-B1 | Novel amino acid derivatives | ONO PHARMACEUTICAL CO (JP) | 1995-07-05 | — | — | EP | claimed |
| US-5317021-A | Analgesics, anticonvulsants | ONO PHARMACEUTICAL CO., LTD. (JP) | 1994-05-31 | — | — | US | claimed |
| EP-0341081-A2 | Novel amino acid derivatives | ONO PHARMACEUTICAL CO., LTD. (JP) | 1989-11-08 | — | — | EP | claimed |